SCHEMBL29317759

SCHEMBL29317759

CC(C)OC(C)(C)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
GAA P10253 1/20 0.43
CNR2 P34972 3/20 0.41
CNR1 P21554 1/20 0.41
PDE2A O00408 1/20 0.41
CCKBR P32239 1/20 0.40
MCL1 Q07820 5/20 0.40
PIK3C3 Q8NEB9 1/20 0.39
PPARG P37231 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
AVPR2 P30518 1/20 0.38
GPR27 Q9NS67 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
HSD11B1 P28845 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29317746 0.81 MMP1 (0.48) BCL9CTNNB1CNR2
SCHEMBL5799001 0.74 PDE2A (0.43) GAACNR2CNR1PDE2ACCKBR
SCHEMBL5798996 0.74 PDE2A (0.43) GAACNR2CNR1PDE2ACCKBR
SCHEMBL1767738 0.73 CA1 (0.53) GAACNR2CNR1PDE2ACCKBR
SCHEMBL13407614 0.73 MCL1 (0.51) GAACNR2CNR1PDE2ACCKBR
SCHEMBL1269555 0.73 MCL1 (0.46) GAACNR2CNR1CCKBRMCL1
SCHEMBL20256179 0.72 MCL1 (0.52) GAACCKBRMCL1PPARG
SCHEMBL17069302 0.70 PDE2A (0.50) CNR2CNR1PDE2AMCL1HSD11B1
SCHEMBL21800169 0.70 MCL1 (0.51) GAACCKBRMCL1PPARG
SCHEMBL29321248 0.70 CA1 (0.48) GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 WO disclosed